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3rd party publications about products of Molecular Networks GmbH and Altamira LLC

Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

Thu, 10/05/2017 - 11:00
... The 3D structures of 7 reference ligands ... were created using Corina Online Demo ...

Evaluation of predictive models based on random forest, decision tree and support vector machine classifiers and virtual screening of anti-mycobacterial compounds

Thu, 08/03/2017 - 11:00
... the dataset of 9248 compounds was subjected to Corina software for conversion of SMILES format into 3D SDF format ...

Novel chemotypes targeting tubulin at the Colchicine Binding Site and unbiasing P-glycoprotein

Fri, 07/21/2017 - 11:00
... Each compound was submitted to CORINA to obtain a reliably minimized 3D structure ...

Enhanced immunostimulatory activity of in silico discovered agonists of Toll-like receptor 2 (TLR2)

Wed, 07/19/2017 - 11:00
... 3D structures of the ligands were previously generated with Corina 3.4 ...

Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination

Mon, 06/19/2017 - 11:00
... The 3D structures were prepared and generated by ... CORINA ...

A Computational Approach to Identify a Potential Alternative Drug with its Positive Impact Towards PMP22

Tue, 04/04/2017 - 11:00
... and provided as input to online CORINA server ... to generate 3D (.pdb) structure files ...

Modulation of Oral Bioavailability and Metabolism for Closely Related Cyclic Hexapeptides

Tue, 03/28/2017 - 11:00
... The initial 3-dimensional structures were generated using the program Corina ...

Targeting the dengue beta-OG with serotype-specific alkaloid virtual leads

Wed, 03/01/2017 - 11:00
... were generated with Corina ...

Study of Structure-Active Relationship for Inhibitors of HIV-1 Integrase LEDGF/p75 Interaction by Machine Learning Methods

Tue, 02/28/2017 - 11:00
... CORINA Symphony is a cheminformatics application ...

Structural Bioinformatics Tools for Drug Desgin

Wed, 02/22/2017 - 11:00
... structures generated by structure generators such as CORINA ...

Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictions

Fri, 02/10/2017 - 11:00
... 3D structures were generated using CORINA ...

Classification of nervous system withdrawn and approved drugs with ToxPrint features via machine learning strategies

Wed, 02/08/2017 - 11:00
... 760 features computed by CORINA Symphony program were presented ...

Cysteine-Based 3-Substituted 1,5-Benzoxathiepin Derivatives: Two New Classes of Anti-proliferative Agents

Mon, 01/30/2017 - 11:00
... Three-dimensional structures of the compounds were initially built using the on-line version of Corina ...

The Performance of Several Docking Programs at Reproducing Protein-Macrolide-Like Crystal Structures

Tue, 01/17/2017 - 11:00
... 3D structures were generated with Corina ...

MraY-antibiotic complex reveals details of tunicamycin mode of action

Mon, 01/09/2017 - 11:00
... was created from 2D SMILES strings by using CORINA ...

High-throughput screening of chemicals as functional substitutes using structure-based classification models

Tue, 12/20/2016 - 11:00
... SMILES strings were used as input into the ChemoTyper application to obtain ToxPrint descriptors ...